(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,phosphoric acid,trihydrate

Modify Date: 2025-10-12 12:11:30

(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,phosphoric acid,trihydrate Structure
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,phosphoric acid,trihydrate structure
Common Name (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,phosphoric acid,trihydrate
CAS Number 5913-76-8 Molecular Weight 848.76500
Density N/A Boiling Point N/A
Molecular Formula C36H54N2O17P2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,phosphoric acid,trihydrate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C36H54N2O17P2
Molecular Weight 848.76500
Exact Mass 848.29000
PSA 286.69000
LogP 0.82790
InChIKey UDIMULCGRYVAIM-REWFBLHLSA-N
SMILES COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341.COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341.O.O.O.O=P(O)(O)O.O=P(O)(O)O

 Synonyms

Codeine,phosphate,sesquihydrate
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